methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate

C10H9BrN2O2S — CID 131254450

IUPACmethyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)c(Br)cc2c1N
InChIInChI=1S/C10H9BrN2O2S/c1-4-6(11)3-5-7(12)8(10(14)15-2)16-9(5)13-4/h3H,12H2,1-2H3
InChIKeyDUKOXUIGRVYUPH-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.74
Rot. Bonds1

About methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 131254450) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID131254450
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Namemethyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)c(Br)cc2c1N
InChIInChI=1S/C10H9BrN2O2S/c1-4-6(11)3-5-7(12)8(10(14)15-2)16-9(5)13-4/h3H,12H2,1-2H3
InChIKeyDUKOXUIGRVYUPH-UHFFFAOYSA-N
XLogP2.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate
CID 155547827
methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
CID 155568119
3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 99989482
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528
methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
CID 855651
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
ethyl 3-bromo-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 59279785
methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
CID 36995603
methyl 4-[3-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)-2,5-dimethylpyrrol-1-yl]benzoate
CID 47091759
methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate
CID 18796869
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate (CID 131254450) is methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(C)c(Br)cc2c1N.
What is the InChIKey of methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is DUKOXUIGRVYUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-4-6(11)3-5-7(12)8(10(14)15-2)16-9(5)13-4/h3H,12H2,1-2H3.
What are the key properties of methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 301.17 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 131254450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).